Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction

Kaho Sugimoto; Yuya Tanaka; Shintaro Fujii; Tomofumi Tada; Manabu Kiguchi; Munetaka Akita

doi:10.1039/c6cc01705c

Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction

Kaho Sugimoto, Yuya Tanaka, Shintaro Fujii, Tomofumi Tada, Manabu Kiguchi, Munetaka Akita

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

Abstract

The organometallic Ru molecular wires 1-3 Ru(PR₃)₄(C≡CC₅H₅N)₂ [(PR₃)₄ = (dppe)₂ (1), [P(OMe₃)]₄ (2), and (dmpe)₂ (3)] show significantly higher conductance compared to their organic counterpart, 1,4-dipyridyl butadiyne (4). CV and UV-Vis measurements and DFT calculations suggest that the high-lying HOMOs of the Ru wires are the key factor for the high conductance.

Original language	English
Pages (from-to)	5796-5799
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	34
DOIs	https://doi.org/10.1039/c6cc01705c
Publication status	Published - Apr 30 2016
Externally published	Yes

All Science Journal Classification (ASJC) codes

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/c6cc01705c

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title = "Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction",

abstract = "The organometallic Ru molecular wires 1-3 Ru(PR3)4(C≡CC5H5N)2 [(PR3)4 = (dppe)2 (1), [P(OMe3)]4 (2), and (dmpe)2 (3)] show significantly higher conductance compared to their organic counterpart, 1,4-dipyridyl butadiyne (4). CV and UV-Vis measurements and DFT calculations suggest that the high-lying HOMOs of the Ru wires are the key factor for the high conductance.",

author = "Kaho Sugimoto and Yuya Tanaka and Shintaro Fujii and Tomofumi Tada and Manabu Kiguchi and Munetaka Akita",

note = "Funding Information: This work was supported by JSPS KAKENHI Grant Number 26810031. The computations were performed partly by using Research Center for Computational Science, Okazaki, Japan, and using the TSUBAME2.5 supercomputer in Tokyo Institute of Technology. Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2016.",

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doi = "10.1039/c6cc01705c",

language = "English",

volume = "52",

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T1 - Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction

AU - Sugimoto, Kaho

AU - Tanaka, Yuya

AU - Fujii, Shintaro

AU - Tada, Tomofumi

AU - Kiguchi, Manabu

AU - Akita, Munetaka

N1 - Funding Information: This work was supported by JSPS KAKENHI Grant Number 26810031. The computations were performed partly by using Research Center for Computational Science, Okazaki, Japan, and using the TSUBAME2.5 supercomputer in Tokyo Institute of Technology. Publisher Copyright: © The Royal Society of Chemistry 2016.

PY - 2016/4/30

Y1 - 2016/4/30

N2 - The organometallic Ru molecular wires 1-3 Ru(PR3)4(C≡CC5H5N)2 [(PR3)4 = (dppe)2 (1), [P(OMe3)]4 (2), and (dmpe)2 (3)] show significantly higher conductance compared to their organic counterpart, 1,4-dipyridyl butadiyne (4). CV and UV-Vis measurements and DFT calculations suggest that the high-lying HOMOs of the Ru wires are the key factor for the high conductance.

AB - The organometallic Ru molecular wires 1-3 Ru(PR3)4(C≡CC5H5N)2 [(PR3)4 = (dppe)2 (1), [P(OMe3)]4 (2), and (dmpe)2 (3)] show significantly higher conductance compared to their organic counterpart, 1,4-dipyridyl butadiyne (4). CV and UV-Vis measurements and DFT calculations suggest that the high-lying HOMOs of the Ru wires are the key factor for the high conductance.

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Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction

Abstract

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